#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6s n GLU 2 N 0.00 0.02 0.07 1.61 1.02 -1.26 -1.40 120.64 120.70 1a6s n GLU 2 Ca 0.00 0.36 -0.23 0.00 -0.02 0.00 0.00 57.16 57.27 1a6s n GLU 2 Cb 0.00 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.77 1a6s n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a6s h ALA 3 N 2.24 0.12 -1.48 0.62 0.00 -1.97 -2.34 119.26 116.45 1a6s h ALA 3 Ca 0.00 -1.09 0.49 0.00 0.00 0.00 0.00 54.91 54.31 1a6s h ALA 3 Cb 0.10 0.43 -0.13 0.00 0.00 0.00 0.00 17.79 18.19 1a6s h ALA 3 CO 0.00 0.93 0.98 -0.24 0.00 0.00 0.00 179.25 180.92 1a6s h VAL 4 N 0.01 0.03 0.00 0.00 3.04 -1.45 4.56 116.25 122.45 1a6s h VAL 4 Ca -0.32 -0.01 -0.15 0.00 -1.01 0.00 0.00 66.70 65.21 1a6s h VAL 4 Cb 2.03 0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 31.30 1a6s h VAL 4 CO 0.16 0.00 -1.15 -0.38 -1.01 0.00 0.00 177.57 175.20 1a6s n ILE 5 N -4.58 1.49 -0.31 3.17 -0.00 -1.25 -3.35 119.36 114.53 1a6s n ILE 5 Ca 0.41 0.03 0.08 0.00 -0.00 0.00 0.00 62.75 63.27 1a6s n ILE 5 Cb 1.63 -2.20 0.23 0.00 -0.00 0.00 0.00 39.64 39.30 1a6s n ILE 5 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 1a6s h LYS 6 N -1.00 0.65 0.55 0.38 1.63 -0.42 0.24 116.57 118.61 1a6s h LYS 6 Ca -0.22 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.51 1a6s h LYS 6 Cb 1.01 -0.15 0.01 0.00 -0.60 0.00 0.00 32.23 32.50 1a6s h LYS 6 CO -0.13 0.43 -0.26 -0.24 -3.45 0.00 0.00 179.45 175.80 1a6s h VAL 7 N 0.67 0.00 -0.84 2.00 3.04 0.87 4.83 116.25 126.83 1a6s h VAL 7 Ca 0.48 -0.01 0.20 0.00 -1.01 0.00 0.00 66.70 66.36 1a6s h VAL 7 Cb 0.66 0.00 -0.15 0.00 -2.01 0.00 0.00 31.29 29.79 1a6s h VAL 7 CO -0.35 0.00 0.00 -0.29 -1.01 0.00 0.00 177.57 175.92 1a6s h ILE 8 N -0.75 0.23 0.17 3.17 6.09 -1.43 9.62 117.51 134.62 1a6s h ILE 8 Ca -0.08 -0.03 -0.01 0.00 -1.37 0.00 0.00 64.86 63.38 1a6s h ILE 8 Cb 0.57 0.15 0.00 0.00 0.47 0.00 0.00 36.82 38.01 1a6s h ILE 8 CO 0.12 0.01 -0.08 -1.28 -3.07 0.00 0.00 178.15 173.86 1a6s h SER 9 N 0.08 -0.19 0.27 2.19 0.87 -0.33 -2.42 113.55 114.01 1a6s h SER 9 Ca 0.47 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.03 1a6s h SER 9 Cb 0.87 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1a6s h SER 9 CO -0.76 0.00 -0.16 -1.28 -0.53 0.00 0.00 176.83 174.10 1a6s h SER 10 N -0.50 -0.40 -0.69 6.23 0.87 1.02 -2.76 113.55 117.31 1a6s h SER 10 Ca -0.02 0.02 0.11 0.00 -1.23 0.00 0.00 61.79 60.67 1a6s h SER 10 Cb 0.17 0.12 -0.12 0.00 -0.44 0.00 0.00 62.40 62.13 1a6s h SER 10 CO 0.04 -0.26 -0.38 0.00 -0.53 0.00 0.00 176.83 175.70 1a6s h ALA 11 N 0.31 -0.07 -0.97 6.23 0.00 2.10 24.70 119.26 151.56 1a6s h ALA 11 Ca -0.03 0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1a6s h ALA 11 Cb 0.34 0.89 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 1a6s h ALA 11 CO 0.03 -0.71 -0.54 0.00 0.00 0.00 0.00 179.25 178.03 1a6s n LYS 13 N -5.31 0.51 -0.25 0.00 4.81 0.58 -3.65 118.16 114.85 1a6s n LYS 13 Ca 0.04 0.43 0.30 0.00 -0.87 0.00 0.00 58.31 58.20 1a6s n LYS 13 Cb 0.30 -1.61 0.70 0.00 0.02 0.00 0.00 35.03 34.43 1a6s n LYS 13 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1a6s h THR 14 N -1.00 0.50 0.00 3.15 2.02 5.84 4.97 112.91 128.38 1a6s h THR 14 Ca -0.14 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1a6s h THR 14 Cb 0.90 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1a6s h THR 14 CO -0.09 0.01 0.00 0.00 0.37 0.00 0.00 175.52 175.82 1a6s n TYR 15 N -4.28 0.00 -2.12 3.16 4.19 1.03 -3.00 117.16 116.14 1a6s n TYR 15 Ca 0.22 0.00 -0.32 0.00 3.31 0.00 0.00 57.90 61.11 1a6s n TYR 15 Cb 1.05 -0.16 0.02 0.00 0.49 0.00 0.00 39.34 40.74 1a6s n TYR 15 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1a6s n GLY 17 N -0.57 0.14 1.34 0.00 0.00 1.35 -4.68 105.19 102.78 1a6s n GLY 17 Ca 0.47 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.35 1a6s n GLY 17 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a6s n LYS 18 N 0.00 0.00 0.00 1.61 2.85 1.23 -2.75 118.16 121.10 1a6s n LYS 18 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1a6s n LYS 18 Cb 0.00 -0.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.86 1a6s n LYS 18 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1a6s n THR 19 N 2.64 0.00 -0.61 0.58 -1.04 -1.26 -4.98 114.28 109.62 1a6s n THR 19 Ca 0.26 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.98 1a6s n THR 19 Cb 0.02 0.00 0.25 0.00 -1.82 0.00 0.00 70.33 68.79 1a6s n THR 19 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1a6s s SER 20 N 0.00 0.92 0.02 8.00 0.01 -1.11 -4.96 113.70 116.59 1a6s s SER 20 Ca 0.00 1.40 -0.19 0.00 1.31 0.00 0.00 55.95 58.48 1a6s s SER 20 Cb 0.00 -2.18 -0.22 0.00 0.21 0.00 0.00 66.02 63.84 1a6s s SER 20 CO 0.00 -4.22 1.15 1.55 0.41 0.00 0.00 173.24 172.13 1a6s h PRO 21 N -2.64 0.47 0.00 12.44 0.13 -2.01 -3.46 132.00 136.93 1a6s h PRO 21 Ca -0.61 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.06 1a6s h PRO 21 Cb 1.34 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.59 1a6s h PRO 21 CO 0.51 1.11 0.00 0.45 -0.23 0.00 0.00 178.00 179.83 1a6s n SER 22 N -4.19 0.00 -0.22 1.44 2.88 -1.26 -4.95 113.62 107.31 1a6s n SER 22 Ca -0.10 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.36 1a6s n SER 22 Cb 0.67 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.17 1a6s n SER 22 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1a6s h LYS 23 N 0.00 1.08 0.00 -1.46 2.10 -2.00 -3.35 116.57 112.94 1a6s h LYS 23 Ca 0.00 -0.31 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1a6s h LYS 23 Cb 0.00 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.22 1a6s h LYS 23 CO 0.00 1.02 -0.09 0.36 -2.00 0.00 0.00 179.45 178.74 1a6s n LYS 24 N -4.19 0.00 0.00 0.07 -0.00 -1.26 -4.88 118.16 107.89 1a6s n LYS 24 Ca 0.04 -0.51 0.00 0.00 -0.00 0.00 0.00 58.31 57.83 1a6s n LYS 24 Cb 0.32 -0.42 0.00 0.00 -0.00 0.00 0.00 35.03 34.93 1a6s n LYS 24 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1a6s n GLU 25 N 0.00 0.00 -0.13 -1.58 2.13 -1.26 -0.31 120.64 119.50 1a6s n GLU 25 Ca 0.00 0.01 0.16 0.00 0.66 0.00 0.00 57.16 57.99 1a6s n GLU 25 Cb 0.54 -0.51 0.54 0.00 0.27 0.00 0.00 31.44 32.28 1a6s n GLU 25 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1a6s h ILE 26 N 0.00 0.79 0.00 6.31 2.04 -1.86 -1.04 117.51 123.75 1a6s h ILE 26 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1a6s h ILE 26 Cb 0.00 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1a6s h ILE 26 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 178.15 178.82 1a6s n GLY 27 N -1.55 -2.91 0.25 5.37 0.00 -1.10 -0.68 105.19 104.57 1a6s n GLY 27 Ca 0.13 0.35 0.03 0.00 0.00 0.00 0.00 46.02 46.53 1a6s n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6s h ALA 28 N -2.11 0.80 -1.00 4.61 0.00 -0.60 1.68 119.26 122.64 1a6s h ALA 28 Ca 0.00 0.15 0.26 0.00 0.00 0.00 0.00 54.91 55.32 1a6s h ALA 28 Cb 0.00 0.21 -0.19 0.00 0.00 0.00 0.00 17.79 17.81 1a6s h ALA 28 CO 0.00 -0.32 -0.04 1.98 0.00 0.00 0.00 179.25 180.86 1a6s h MET 29 N 0.25 0.00 0.00 0.00 -1.53 -1.00 5.95 114.93 118.60 1a6s h MET 29 Ca 0.36 -0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.62 1a6s h MET 29 Cb 0.57 -0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.62 1a6s h MET 29 CO -0.46 0.00 -0.71 1.28 0.14 0.00 0.00 176.91 177.16 1a6s n LEU 30 N -5.53 1.77 -0.29 3.39 4.77 0.14 -3.23 117.00 118.02 1a6s n LEU 30 Ca 0.22 0.47 0.02 0.00 -0.03 0.00 0.00 56.01 56.68 1a6s n LEU 30 Cb 0.70 -0.79 0.15 0.00 -2.33 0.00 0.00 43.42 41.16 1a6s n LEU 30 CO -0.09 -0.38 1.15 0.28 -1.33 0.00 0.00 177.39 177.02 1a6s h SER 31 N -0.95 0.71 0.61 -1.43 0.02 0.26 9.99 113.55 122.76 1a6s h SER 31 Ca 0.00 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1a6s h SER 31 Cb 0.71 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.15 1a6s h SER 31 CO 0.00 0.42 -0.30 0.25 -1.14 0.00 0.00 176.83 176.07 1a6s h LEU 32 N 0.83 -0.70 -0.11 5.07 7.12 1.22 0.40 115.31 129.14 1a6s h LEU 32 Ca 0.38 0.02 -0.03 0.00 0.13 0.00 0.00 57.88 58.39 1a6s h LEU 32 Cb 0.30 0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.61 1a6s h LEU 32 CO -0.22 -0.44 -0.05 -0.07 -0.13 0.00 0.00 178.44 177.52 1a6s h LEU 33 N -0.94 0.23 0.00 2.25 -0.00 -0.97 0.53 115.31 116.41 1a6s h LEU 33 Ca -0.08 -0.42 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 1a6s h LEU 33 Cb 0.63 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1a6s h LEU 33 CO 0.14 0.60 0.00 1.67 -0.00 0.00 0.00 178.44 180.85 1a6s n GLN 34 N -4.71 0.44 -0.60 1.13 7.27 3.16 0.60 117.38 124.68 1a6s n GLN 34 Ca -0.06 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.03 1a6s n GLN 34 Cb 0.28 -1.35 0.03 0.00 2.41 0.00 0.00 30.24 31.61 1a6s n GLN 34 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1a6s n LYS 35 N -0.85 0.24 0.00 3.69 4.81 0.14 -4.73 118.16 121.46 1a6s n LYS 35 Ca 0.07 -1.47 0.00 0.00 -0.87 0.00 0.00 58.31 56.04 1a6s n LYS 35 Cb 0.03 -0.61 0.00 0.00 0.02 0.00 0.00 35.03 34.48 1a6s n LYS 35 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1a6s n GLU 36 N -0.17 0.37 -0.27 1.64 4.71 0.12 -4.78 120.64 122.25 1a6s n GLU 36 Ca 0.04 -0.57 0.00 0.00 -0.01 0.00 0.00 57.16 56.62 1a6s n GLU 36 Cb 0.76 -0.58 0.00 0.00 -1.01 0.00 0.00 31.44 30.61 1a6s n GLU 36 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1a6s n GLY 37 N -0.07 1.50 2.50 0.62 0.00 -1.08 -4.41 105.19 104.26 1a6s n GLY 37 Ca 0.00 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 1a6s n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a6s n LEU 38 N 0.00 4.46 -1.13 0.99 7.99 0.20 -4.75 117.00 124.76 1a6s n LEU 38 Ca 0.00 -5.12 0.05 0.00 -0.01 0.00 0.00 56.01 50.93 1a6s n LEU 38 Cb 0.06 -0.40 0.21 0.00 -0.11 0.00 0.00 43.42 43.19 1a6s n LEU 38 CO 0.00 2.19 0.61 -0.11 -1.51 0.00 0.00 177.39 178.58 1a6s n LEU 39 N -0.44 3.24 -0.81 2.23 0.00 -1.26 -3.80 117.00 116.16 1a6s n LEU 39 Ca 0.37 -1.64 0.07 0.00 0.00 0.00 0.00 56.01 54.81 1a6s n LEU 39 Cb 0.67 -0.51 0.19 0.00 0.00 0.00 0.00 43.42 43.77 1a6s n LEU 39 CO 0.33 0.49 0.66 0.80 0.00 0.00 0.00 177.39 179.66 1a6s n MET 40 N 0.45 2.03 0.00 1.96 1.56 -1.26 -5.04 117.12 116.83 1a6s n MET 40 Ca 0.15 -1.57 0.00 0.00 -0.27 0.00 0.00 57.70 56.01 1a6s n MET 40 Cb 0.66 -1.35 0.00 0.00 2.15 0.00 0.00 33.22 34.68 1a6s n MET 40 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1a6s n SER 41 N 0.76 0.00 -0.42 6.12 3.41 -1.25 -4.37 113.62 117.87 1a6s n SER 41 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1a6s n SER 41 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1a6s n SER 41 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1a6s n PRO 42 N -0.08 0.75 0.25 4.33 -0.04 -1.26 -3.48 135.00 135.47 1a6s n PRO 42 Ca 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 1a6s n PRO 42 Cb 0.00 -1.32 0.61 0.00 -0.04 0.00 0.00 33.50 32.76 1a6s n PRO 42 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1a6s h SER 43 N 0.21 0.00 -0.96 3.54 0.02 -1.78 -3.05 113.55 111.53 1a6s h SER 43 Ca 0.00 0.00 0.39 0.00 -0.84 0.00 0.00 61.79 61.34 1a6s h SER 43 Cb 0.32 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.68 1a6s h SER 43 CO 0.00 0.14 0.48 -0.67 -1.14 0.00 0.00 176.83 175.64 1a6s n ASP 44 N -3.39 0.30 0.05 3.07 4.64 -1.23 0.50 116.55 120.49 1a6s n ASP 44 Ca -0.00 1.59 0.03 0.00 -1.38 0.00 0.00 54.79 55.03 1a6s n ASP 44 Cb 0.34 -0.76 0.41 0.00 -1.04 0.00 0.00 41.12 40.07 1a6s n ASP 44 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 1a6s h LEU 45 N 0.00 0.39 0.00 -2.67 6.46 -1.74 -0.80 115.31 116.94 1a6s h LEU 45 Ca 0.80 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.52 1a6s h LEU 45 Cb 2.08 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.91 1a6s h LEU 45 CO -0.75 0.36 0.04 -1.22 -0.62 0.00 0.00 178.44 176.25 1a6s n TYR 46 N -4.40 0.00 -4.73 1.25 4.01 1.85 -4.36 117.16 110.78 1a6s n TYR 46 Ca 0.01 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.51 1a6s n TYR 46 Cb 0.14 -0.18 -0.16 0.00 -0.31 0.00 0.00 39.34 38.83 1a6s n TYR 46 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1a6s s SER 47 N -2.26 1.89 0.03 7.72 0.15 -0.31 -5.12 113.70 115.81 1a6s s SER 47 Ca 0.00 -0.30 -0.30 0.00 0.70 0.00 0.00 55.95 56.05 1a6s s SER 47 Cb 0.00 -0.40 -0.05 0.00 -1.71 0.00 0.00 66.02 63.86 1a6s s SER 47 CO 0.00 0.16 1.18 -2.16 1.20 0.00 0.00 173.24 173.62 1a6s s PRO 48 N -0.10 4.43 -0.91 5.44 0.04 -1.26 -3.36 135.00 139.27 1a6s s PRO 48 Ca 0.00 1.72 -0.03 0.00 0.04 0.00 0.00 61.00 62.73 1a6s s PRO 48 Cb -0.09 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1a6s s PRO 48 CO 0.01 -0.28 0.77 0.41 0.04 0.00 0.00 177.00 177.95 1a6s n GLY 49 N 3.22 -0.13 1.42 0.56 0.00 -1.26 -4.91 105.19 104.09 1a6s n GLY 49 Ca 0.09 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1a6s n GLY 49 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a6s n SER 50 N -2.22 4.18 -0.50 1.61 7.64 -1.21 -3.76 113.62 119.35 1a6s n SER 50 Ca -0.12 -2.41 0.12 0.00 1.01 0.00 0.00 58.87 57.47 1a6s n SER 50 Cb 0.59 -0.54 0.19 0.00 -1.01 0.00 0.00 64.21 63.44 1a6s n SER 50 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1a6s n TRP 51 N 0.90 0.00 0.17 1.43 7.02 -1.26 -3.79 117.44 121.91 1a6s n TRP 51 Ca 0.22 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.76 1a6s n TRP 51 Cb 0.79 -0.04 0.11 0.00 -2.42 0.00 0.00 31.31 29.75 1a6s n TRP 51 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 1a6s h ASP 52 N 2.44 0.00 0.39 -0.99 -0.00 -1.98 -2.96 116.42 113.32 1a6s h ASP 52 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.03 56.83 1a6s h ASP 52 Cb 0.69 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.02 1a6s h ASP 52 CO 0.00 0.34 -0.84 1.55 -0.00 0.00 0.00 179.24 180.30 1a6s h PRO 53 N 0.00 0.33 0.00 0.28 0.13 -1.84 -2.93 132.00 127.97 1a6s h PRO 53 Ca -0.00 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1a6s h PRO 53 Cb 1.22 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1a6s h PRO 53 CO 0.04 1.00 0.00 0.97 -0.23 0.00 0.00 178.00 179.78 1a6s h ILE 54 N 0.20 0.00 0.13 -3.56 -0.00 -1.74 -2.37 117.51 110.18 1a6s h ILE 54 Ca -0.05 -0.70 -0.01 0.00 -0.00 0.00 0.00 64.86 64.10 1a6s h ILE 54 Cb 1.45 1.68 0.00 0.00 -0.00 0.00 0.00 36.82 39.95 1a6s h ILE 54 CO 0.14 0.00 -0.06 0.74 -0.00 0.00 0.00 178.15 178.96 1a6s h THR 55 N 0.00 0.97 0.00 2.19 2.02 -1.35 -3.01 112.91 113.74 1a6s h THR 55 Ca 0.00 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.00 1a6s h THR 55 Cb 0.78 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1a6s h THR 55 CO 0.00 0.25 0.00 0.00 0.37 0.00 0.00 175.52 176.14 1a6s n ALA 56 N -2.53 1.83 -0.18 6.16 0.00 -1.12 -2.58 120.51 122.08 1a6s n ALA 56 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1a6s n ALA 56 Cb 0.27 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1a6s n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6s n ALA 57 N -1.67 -0.27 -0.27 0.00 0.00 -0.89 -0.87 120.51 116.53 1a6s n ALA 57 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.63 1a6s n ALA 57 Cb 0.26 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.14 1a6s n ALA 57 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1a6s h LEU 58 N 0.00 0.56 -1.25 0.00 -0.00 -1.59 0.49 115.31 113.52 1a6s h LEU 58 Ca 0.00 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 1a6s h LEU 58 Cb 0.00 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.58 1a6s h LEU 58 CO 0.00 0.23 0.39 -1.28 -0.00 0.00 0.00 178.44 177.79 1a6s h SER 59 N 0.56 0.80 0.94 0.17 0.87 -1.51 5.50 113.55 120.88 1a6s h SER 59 Ca 0.49 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.99 1a6s h SER 59 Cb 0.99 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1a6s h SER 59 CO -0.23 0.63 -0.06 1.56 -0.53 0.00 0.00 176.83 178.20 1a6s h GLN 60 N 0.92 0.00 0.00 2.24 1.08 0.19 -3.36 115.11 116.18 1a6s h GLN 60 Ca 0.24 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.25 1a6s h GLN 60 Cb -0.02 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.27 1a6s h GLN 60 CO -0.04 0.06 -0.35 2.89 -0.95 0.00 0.00 178.83 180.44 1a6s n ARG 61 N -3.19 0.68 0.00 1.46 1.85 0.04 -4.96 116.66 112.53 1a6s n ARG 61 Ca 0.00 -1.52 0.05 0.00 -1.00 0.00 0.00 57.85 55.39 1a6s n ARG 61 Cb 0.33 -1.01 0.24 0.00 -1.05 0.00 0.00 32.46 30.96 1a6s n ARG 61 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1a6s n ALA 62 N 1.15 1.53 -0.22 2.89 0.00 1.77 -1.03 120.51 126.60 1a6s n ALA 62 Ca 0.05 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.54 1a6s n ALA 62 Cb 0.67 -1.17 0.30 0.00 0.00 0.00 0.00 19.45 19.26 1a6s n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6s n MET 63 N -1.45 3.05 -0.00 0.00 0.00 -1.26 -3.82 117.12 113.63 1a6s n MET 63 Ca 0.03 -2.43 0.09 0.00 0.00 0.00 0.00 57.70 55.38 1a6s n MET 63 Cb 0.12 -1.70 -0.11 0.00 0.00 0.00 0.00 33.22 31.53 1a6s n MET 63 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 1a6s n ILE 64 N 1.14 0.00 -4.23 3.17 5.41 -0.19 -4.95 119.36 119.71 1a6s n ILE 64 Ca 0.22 -0.14 -0.28 0.00 1.00 0.00 0.00 62.75 63.55 1a6s n ILE 64 Cb 0.70 0.82 -0.09 0.00 -0.71 0.00 0.00 39.64 40.36 1a6s n ILE 64 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1a6s s LEU 65 N -3.15 3.11 0.00 1.39 1.43 -1.25 -5.06 118.68 115.16 1a6s s LEU 65 Ca 0.04 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1a6s s LEU 65 Cb 0.13 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.51 1a6s s LEU 65 CO 0.76 0.14 0.00 0.61 0.23 0.00 0.00 176.35 178.09 1a6s n GLY 66 N 0.38 -2.05 0.09 -3.19 0.00 -1.15 -4.26 105.19 95.01 1a6s n GLY 66 Ca -0.12 1.00 0.04 0.00 0.00 0.00 0.00 46.02 46.94 1a6s n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a6s n LYS 67 N 0.00 3.36 -0.76 1.61 3.00 -1.26 -4.63 118.16 119.48 1a6s n LYS 67 Ca 0.00 -0.26 -0.02 0.00 -0.00 0.00 0.00 58.31 58.02 1a6s n LYS 67 Cb 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 35.03 34.07 1a6s n LYS 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1a6s n SER 68 N -0.75 -0.25 0.00 3.14 2.88 -1.26 -4.99 113.62 112.39 1a6s n SER 68 Ca 0.02 -1.54 0.00 0.00 -1.33 0.00 0.00 58.87 56.02 1a6s n SER 68 Cb 0.14 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1a6s n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a6s n GLY 69 N 0.04 3.09 0.22 0.46 0.00 -1.26 -4.66 105.19 103.08 1a6s n GLY 69 Ca -0.09 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1a6s n GLY 69 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1a6s n GLU 70 N 0.00 0.00 0.00 1.61 2.13 -1.26 -4.79 120.64 118.33 1a6s n GLU 70 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1a6s n GLU 70 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1a6s n GLU 70 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1a6s n LEU 71 N -2.28 0.88 -0.21 4.31 7.94 -1.26 -2.92 117.00 123.46 1a6s n LEU 71 Ca 0.00 -0.88 0.02 0.00 -1.11 0.00 0.00 56.01 54.04 1a6s n LEU 71 Cb 0.00 0.00 0.13 0.00 0.53 0.00 0.00 43.42 44.08 1a6s n LEU 71 CO 0.00 0.22 0.95 0.11 -1.11 0.00 0.00 177.39 177.56 1a6s h LYS 72 N 0.00 0.31 -0.44 1.96 1.79 -1.92 0.37 116.57 118.64 1a6s h LYS 72 Ca 0.00 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.47 1a6s h LYS 72 Cb 0.19 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 1a6s h LYS 72 CO 0.00 0.20 0.25 1.15 -1.08 0.00 0.00 179.45 179.98 1a6s h THR 73 N 0.32 1.03 -0.00 -0.16 2.02 -1.85 -2.34 112.91 111.93 1a6s h THR 73 Ca 0.34 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.35 1a6s h THR 73 Cb 0.51 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1a6s h THR 73 CO -0.40 0.09 -0.03 -0.25 0.37 0.00 0.00 175.52 175.31 1a6s h TRP 74 N 0.51 -0.06 -0.90 3.16 7.01 -1.34 -2.24 115.95 122.10 1a6s h TRP 74 Ca 0.18 0.00 0.19 0.00 2.11 0.00 0.00 58.89 61.37 1a6s h TRP 74 Cb 0.03 0.03 -0.17 0.00 -2.10 0.00 0.00 29.16 26.94 1a6s h TRP 74 CO -0.07 -0.04 -0.18 0.41 -2.79 0.00 0.00 178.44 175.76 1a6s n GLY 75 N -1.13 -1.46 0.29 2.65 0.00 0.11 0.33 105.19 105.99 1a6s n GLY 75 Ca -0.06 0.95 -0.08 0.00 0.00 0.00 0.00 46.02 46.82 1a6s n GLY 75 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a6s h LEU 76 N 0.00 0.97 0.36 0.99 -0.00 -1.21 4.66 115.31 121.08 1a6s h LEU 76 Ca 0.45 -0.26 -0.02 0.00 -0.00 0.00 0.00 57.88 58.06 1a6s h LEU 76 Cb 0.73 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 1a6s h LEU 76 CO -0.91 0.97 -0.18 1.62 -0.00 0.00 0.00 178.44 179.95 1a6s h VAL 77 N 0.92 0.44 0.39 1.22 3.04 0.37 -2.89 116.25 119.73 1a6s h VAL 77 Ca 0.19 -0.68 -0.02 0.00 -1.01 0.00 0.00 66.70 65.18 1a6s h VAL 77 Cb 0.41 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 1a6s h VAL 77 CO 0.01 0.09 -0.19 0.25 -1.01 0.00 0.00 177.57 176.73 1a6s h LEU 78 N -0.97 -0.44 -1.51 3.16 7.12 0.54 -3.14 115.31 120.07 1a6s h LEU 78 Ca -0.05 -0.02 0.45 0.00 0.13 0.00 0.00 57.88 58.39 1a6s h LEU 78 Cb 0.53 0.11 -0.07 0.00 -0.53 0.00 0.00 40.66 40.69 1a6s h LEU 78 CO 0.08 0.00 1.07 0.61 -0.13 0.00 0.00 178.44 180.08 1a6s n GLY 79 N 0.39 -0.78 0.11 3.75 0.00 1.53 0.34 105.19 110.53 1a6s n GLY 79 Ca -0.07 0.58 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 1a6s n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6s h ALA 80 N 0.91 0.15 -0.80 4.61 0.00 -1.46 -1.73 119.26 120.94 1a6s h ALA 80 Ca 0.76 -0.29 0.15 0.00 0.00 0.00 0.00 54.91 55.53 1a6s h ALA 80 Cb 2.93 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 20.59 1a6s h ALA 80 CO -0.09 -0.03 0.36 1.25 0.00 0.00 0.00 179.25 180.75 1a6s h LEU 81 N -0.14 0.39 -1.40 0.00 5.85 0.57 1.00 115.31 121.58 1a6s h LEU 81 Ca 0.02 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1a6s h LEU 81 Cb 0.58 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1a6s h LEU 81 CO 0.02 0.15 -0.20 0.11 -0.34 0.00 0.00 178.44 178.19 1a6s h LYS 82 N 0.52 0.00 -0.23 1.25 6.56 -1.31 -2.31 116.57 121.04 1a6s h LYS 82 Ca 0.44 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 59.89 1a6s h LYS 82 Cb 0.66 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.31 1a6s h LYS 82 CO -0.39 0.20 -0.45 0.00 -2.06 0.00 0.00 179.45 176.74 1a6s h ALA 83 N 1.80 0.77 -0.38 3.86 0.00 0.19 -1.70 119.26 123.80 1a6s h ALA 83 Ca -0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1a6s h ALA 83 Cb 0.61 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1a6s h ALA 83 CO 0.03 0.66 0.13 0.00 0.00 0.00 0.00 179.25 180.06 1a6s h ALA 84 N 1.02 0.50 -0.34 0.00 0.00 -0.51 0.27 119.26 120.20 1a6s h ALA 84 Ca 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1a6s h ALA 84 Cb 0.98 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1a6s h ALA 84 CO 0.09 0.14 0.03 -0.09 0.00 0.00 0.00 179.25 179.42 1a6s h ARG 85 N 0.47 0.51 0.00 0.00 2.43 -1.38 -1.45 114.38 114.96 1a6s h ARG 85 Ca 0.12 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1a6s h ARG 85 Cb 0.24 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1a6s h ARG 85 CO -0.01 0.52 -0.32 1.05 -1.51 0.00 0.00 179.97 179.70 1a6s h GLU 86 N 0.50 0.00 0.00 0.20 -0.00 -0.79 -3.52 114.58 110.97 1a6s h GLU 86 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.47 1a6s h GLU 86 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.03 1a6s h GLU 86 CO 0.00 0.32 0.00 0.39 -0.00 0.00 0.00 179.01 179.72